4OCX
Fab complex with methotrexate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 200 |
| Detector technology | PIXEL |
| Detector | PSI PILATUS 6M |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 143.361, 143.361, 143.361 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.200 - 2.390 |
| R-factor | 0.1884 |
| Rwork | 0.187 |
| R-free | 0.21650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.320 |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | BUSTER-TNT (BUSTER 2.11.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 143.361 | 143.361 | 2.520 |
| High resolution limit [Å] | 2.390 | 7.570 | 2.390 |
| Rmerge | 0.031 | 0.516 | |
| Total number of observations | 11987 | 58505 | |
| Number of reflections | 38974 | ||
| <I/σ(I)> | 23.3 | 20.2 | 1.5 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 9.9 | 9 | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 3.5 | NaCl, citrate pH~3.5, VAPOR DIFFUSION |
